6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C20H19Cl2N3O2S — CID 16730481

About 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16730481) has the molecular formula C20H19Cl2N3O2S and a molecular weight of 436.36 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• PubChem CID: 16730481
• Molecular Formula: C20H19Cl2N3O2S
• Molecular Weight: 436.36 g/mol
• Exact Mass: 435.06
• IUPAC Name: 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• SMILES: CCC1c2cn[nH]c2CC(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C20H19Cl2N3O2S/c1-2-19-17-12-23-24-18(17)11-20(13-3-5-14(21)6-4-13)25(19)28(26,27)16-9-7-15(22)8-10-16/h3-10,12,19-20H,2,11H2,1H3,(H,23,24)
• InChIKey: PUBWZOHDDYWHMC-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.36
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The IUPAC name of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16730481) is 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

What is the SMILES notation for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The canonical SMILES for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CCC1c2cn[nH]c2CC(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The InChIKey is PUBWZOHDDYWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S/c1-2-19-17-12-23-24-18(17)11-20(13-3-5-14(21)6-4-13)25(19)28(26,27)16-9-7-15(22)8-10-16/h3-10,12,19-20H,2,11H2,1H3,(H,23,24).

What are the key properties of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 436.36 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16730481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).